Geometry & MOs

Info

ID:	369006
PubChem CID:	127331110
Reduced:	OSN5C16H19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	368.23246
ΔH_f, kcal/mol:	14.0
Dipole, Da:	1.23
IP(EA), eV:	-8.71(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(dimethylamino)phenyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)NC3CSC4=CC=CC=C34

DOS

IR

Vibrations